Hydrochloric Acid

Hydrochloric Acid

SCHEMBL436618

COc1cc2c(ccc3c4cc(OC)c(OC)cc4c[n+](C)c23)cc1O.Cl.[Cl-]

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 known ✓ P00519 1/20 0.46
GAA known ✓ P10253 1/20 0.46
BCHE known ✓ P06276 2/20 0.45
ACHE known ✓ P22303 2/20 0.45
PRKCE known ✓ Q02156 1/20 0.45
MAOA known ✓ P21397 1/20 0.43
PPARG known ✓ P37231 1/20 0.43
RAD52 P43351 2/20 0.66
RAC1 P63000 5/20 0.60
CDC42 P60953 4/20 0.60
MAPT P10636 3/20 0.46
MCL1 Q07820 3/20 0.46
POLB P06746 2/20 0.46
BLM P54132 2/20 0.46
KDM4E B2RXH2 2/20 0.46
PKM P14618 1/20 0.46
APEX1 P27695 1/20 0.46
RECQL P46063 1/20 0.46
CDK5 Q00535 1/20 0.46
RIN1 Q13671 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL424548 0.99 RAD52 (0.67) RAD52RAC1CDC42MAPTMCL1
Hydrochloric Acid SCHEMBL29546268 0.99 RAD52 (0.67) RAD52RAC1CDC42MAPTMCL1
SCHEMBL424549 0.97 RAD52 (0.69) RAD52RAC1CDC42MAPTMCL1
SCHEMBL13839324 0.89 RAD52 (0.81) RAD52RAC1CDC42MAPTMCL1
Hydrochloric Acid SCHEMBL8709312 0.83 RAC1 (0.70) RAD52RAC1CDC42MAPTMCL1
SCHEMBL17029135 0.82 RAD52 (0.71) RAD52RAC1CDC42MAPTMCL1
SCHEMBL9679413 0.82 RAC1 (0.69) RAD52RAC1CDC42MAPTMCL1
Hydrochloric Acid SCHEMBL8709205 0.81 RAC1 (0.70) RAD52RAC1CDC42MAPTMCL1
Nitidine SCHEMBL164193 0.80 BCL2L1 (0.76) RAD52RAC1CDC42MAPTMCL1
SCHEMBL15413681 0.80 RAC1 (0.71) RAD52RAC1CDC42MAPTMCL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240156764-A1 INHIBITION OF URACIL DNA GLYCOSYLASE IN THE OPEN CONFORMATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-05-16 US disclosed
US-10725042-B2 Methods of diagnosing and treating cancer CASE WESTERN RESERVE UNIVERSITY (US) 2020-07-28 US disclosed
US-10722530-B2 Methods of diagnosing and treating cancer CASE WESTERN RESERVE UNIVERSITY (US) 2020-07-28 US disclosed
US-20190117663-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER UNIV CASE WESTERN RESERVE (US) 2019-04-25 US disclosed
US-20180185403-A1 METHODS OF DIAGNOSING AND TREATING CANCER CASE WESTERN RESERVE UNIVERSITY 2018-07-05 US disclosed
EP-2173333-B1 COMBINATIONS OF ANTIFOLATE AGENT AND METHOXYAMINE IN THE TREATMENT OF CANCER TRACON PHARMACEUTICALS INC (US) 2018-06-27 EP disclosed
WO-2017176756-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER CASE WESTERN RESERVE UNIVERSITY (US) 2017-10-12 WO disclosed
US-20170071965-A1 ANTIMETABOLITE AGENT COMBINATIONS IN THE TREATMENT OF CANCER UNIV CASE WESTERN RESERVE (US) 2017-03-16 US disclosed
US-9498489-B2 Antimetabolite agent combinations in the treatment of cancer CASE WESTERN RESERVE UNIVERSITY (US) 2016-11-22 US disclosed
CN-104958299-A Antifolate agent combinations in the treatment of cancer TRACON PHARMACEUTICALS INC 2015-10-07 CN disclosed
US-8017618-B2 Administering antifolate anticancer agent and methoxyamine to enhance or increase the effect of the antifolate anticancer agent TRACON PHARMACEUTICALS, INC. (US) 2011-09-13 US disclosed
CN-102014887-A Combined use of antifolates in cancer treatment TRACON 2011-04-13 CN disclosed
US-20100267657-A1 ANTIMETABOLITE AGENT COMBINATIONS IN THE TREATMENT OF CANCER CASE WESTERN RESERVE UNIVERSITY 2010-10-21 US disclosed
EP-2173333-A2 COMBINATIONS OF ANTIFOLATE AGENT AND METHOXYAMINE IN THE TREATMENT OF CANCER Tracon Pharmaceuticals, Inc. (US) 2010-04-14 EP disclosed
EP-1123099-B1 NOVEL INDENOISOQUINOLINES AS ANTINEOPLASTIC AGENTS PURDUE RESEARCH FOUNDATION (US) 2009-03-04 EP disclosed
US-20080234298-A1 ANTIFOLATE AGENT COMBINATIONS IN THE TREATMENT OF CANCER TRACON PHARMACEUTICALS, INC. (US) 2008-09-25 US disclosed
WO-2008083107-A2 ANTIFOLATE AGENT COMBINATIONS IN THE TREATMENT OF CANCER TRACON (US) 2008-07-10 WO disclosed
US-20060241186-A1 Alkylating agent combinations in the treatment of cancer NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-10-26 US disclosed
WO-2003070234-A9 ALKYLATING AGENT COMBINATIONS IN THE TREATMENT OF CANCER UNIV CASE WESTERN RESERVE (US) 2004-02-26 WO disclosed
WO-2003070234-A1 ALKYLATING AGENT COMBINATIONS IN THE TREATMENT OF CANCER CASE WESTERN RESERVE UNIVERSITY (US) 2003-08-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060241186-A1 Alkylating agent combinations in the treatment of cancer UNG, TOP2A, OGG1 ABL1 2177/4885GAA 1700/4885BCHE 2898/4885
US-20100267657-A1 ANTIMETABOLITE AGENT COMBINATIONS IN THE TREATMENT OF CANCER DNASE1, DNASE1L3, UNG ABL1 3807/4885GAA 108/4885BCHE 264/4885
US-10722530-B2 Methods of diagnosing and treating cancer UNG, TP53, OGG1 ABL1 3856/4885GAA 318/4885BCHE 754/4885
US-20180185403-A1 METHODS OF DIAGNOSING AND TREATING CANCER UNG, TP53, OGG1 ABL1 3856/4885GAA 318/4885BCHE 754/4885
US-20080234298-A1 ANTIFOLATE AGENT COMBINATIONS IN THE TREATMENT OF CANCER FEN1, UNG, FOLR1 ABL1 3833/4885GAA 1612/4885BCHE 2522/4885
US-20190117663-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER PARP2, PARP1, PPP2CA ABL1 1364/4885GAA 1406/4885BCHE 3270/4885
US-20170071965-A1 ANTIMETABOLITE AGENT COMBINATIONS IN THE TREATMENT OF CANCER DNASE1, DNASE1L3, UNG ABL1 3807/4885GAA 108/4885BCHE 264/4885
US-20240156764-A1 INHIBITION OF URACIL DNA GLYCOSYLASE IN THE OPEN CONFORMATION UNG, OGG1, MPG ABL1 3870/4885GAA 238/4885BCHE 1474/4885
US-10725042-B2 Methods of diagnosing and treating cancer UNG, NTPCR, GUSB ABL1 3071/4885GAA 749/4885BCHE 1024/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.